Geometry & MOs

Info

ID:	355668
PubChem CID:	127289633
Reduced:	O3N5C20H31 (1)
Stoich.:	A3B5C20D31 (1)
Weight, g/mol:	393.27399
ΔH_f, kcal/mol:	-108.97
Dipole, Da:	7.72
IP(EA), eV:	-8.72(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-oxopiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CN2CCC(CC2)N(C)C(=O)C3=CC(=O)N(C=C3)C

DOS

IR

Vibrations